噻奈普汀
TL;DR: 噻奈普汀 (CAS 72797-41-2) is a chemical compound with molecular formula C21H25ClN2O4S and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
噻奈普汀
7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid
Also Known As: Tianeptine, Stablon, Coaxil, Tianeptina, Tianeptine Acid
| Molecular Formula | C21H25ClN2O4S |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 436.12234 |
| Heavy Atoms | 29 |
| Complexity | 654.0 |
| Melting Point | 148 |
| Boiling Point | 609.2 |
Chemical Identifiers
| CAS Number | 72797-41-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O |
| InChIKey | JICJBGPOMZQUBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
噻奈普汀 (CAS 72797-41-2), with molecular formula C21H25ClN2O4S and molecular weight 436.12 g/mol. IUPAC: 7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid.
Chemical Property Profile of 噻奈普汀
Property Insights of 噻奈普汀
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 噻奈普汀. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 噻奈普汀. Following Lipinski's Rule of Five, 噻奈普汀 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 噻奈普汀?
The CAS number of 噻奈普汀 is 72797-41-2.
What is the molecular formula of 噻奈普汀?
The molecular formula of 噻奈普汀 is C21H25ClN2O4S.
What is the molecular weight of 噻奈普汀?
The molecular weight of 噻奈普汀 is 436.12 g/mol.
Where can I buy 噻奈普汀?
You can request a quote for 噻奈普汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 噻奈普汀?
Yes, KEHONG BIO provides custom synthesis services for 噻奈普汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.